4,4-dimethylpyrido[3,4-b]azepine;ethane

C13H18N2 — CID 143321819

IUPAC4,4-dimethylpyrido[3,4-b]azepine;ethane
SMILESCC.CC1(C)C=CN=c2cnccc2=C1
InChIInChI=1S/C11H12N2.C2H6/c1-11(2)4-6-13-10-8-12-5-3-9(10)7-11;1-2/h3-8H,1-2H3;1-2H3
InChIKeyLQEAGFWULWXAOO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.06
Rot. Bonds

About 4,4-dimethylpyrido[3,4-b]azepine;ethane

4,4-dimethylpyrido[3,4-b]azepine;ethane (PubChem CID 143321819) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,4-dimethylpyrido[3,4-b]azepine;ethane.

Molecular Properties

Compound Name4,4-dimethylpyrido[3,4-b]azepine;ethane
PubChem CID143321819
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4,4-dimethylpyrido[3,4-b]azepine;ethane
SMILESCC.CC1(C)C=CN=c2cnccc2=C1
InChIInChI=1S/C11H12N2.C2H6/c1-11(2)4-6-13-10-8-12-5-3-9(10)7-11;1-2/h3-8H,1-2H3;1-2H3
InChIKeyLQEAGFWULWXAOO-UHFFFAOYSA-N
XLogP2.06
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-1,4-Benzodiazepine
CID 21162934
Azolo[1,4]benzodiazepine
CID 66714092
Pyrrolobenzazepine
CID 88072644
2-fluoro-2H-1,4-benzodiazepine
CID 151308388
2,5-dimethyl-3H-azepine
CID 11819081
1,5-Benzodiazocine
CID 23633143
Azonino[5,6-b]indole
CID 129879581
5-tert-butyl-2-methyl-3H-azepine
CID 12982476
(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene
CID 19816510
(9Z,14Z)-4,12-diazatricyclo[7.6.0.03,7]pentadeca-1,3,5,7,9,11,14-heptaene
CID 19879782
5,10-Diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
CID 53864316
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpyrido[3,4-b]azepine;ethane?
The IUPAC name of 4,4-dimethylpyrido[3,4-b]azepine;ethane (CID 143321819) is 4,4-dimethylpyrido[3,4-b]azepine;ethane.
What is the SMILES notation for 4,4-dimethylpyrido[3,4-b]azepine;ethane?
The canonical SMILES for 4,4-dimethylpyrido[3,4-b]azepine;ethane is CC.CC1(C)C=CN=c2cnccc2=C1.
What is the InChIKey of 4,4-dimethylpyrido[3,4-b]azepine;ethane?
The InChIKey is LQEAGFWULWXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-11(2)4-6-13-10-8-12-5-3-9(10)7-11;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 4,4-dimethylpyrido[3,4-b]azepine;ethane?
4,4-dimethylpyrido[3,4-b]azepine;ethane has a molecular weight of 202.30 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpyrido[3,4-b]azepine;ethane is sourced from PubChem (CID 143321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).